N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide

C10H15F2NO2 — CID 107482810

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(C1CC=CC1)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2NO2/c11-9(12)7-13(5-6-14)10(15)8-3-1-2-4-8/h1-2,8-9,14H,3-7H2
InChIKeyVVEQCQMXLANPST-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.04
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide (PubChem CID 107482810) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
PubChem CID107482810
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(C1CC=CC1)N(CCO)CC(F)F
InChIInChI=1S/C10H15F2NO2/c11-9(12)7-13(5-6-14)10(15)8-3-1-2-4-8/h1-2,8-9,14H,3-7H2
InChIKeyVVEQCQMXLANPST-UHFFFAOYSA-N
XLogP1.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide (CID 107482810) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide is O=C(C1CC=CC1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is VVEQCQMXLANPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-9(12)7-13(5-6-14)10(15)8-3-1-2-4-8/h1-2,8-9,14H,3-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 219.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 107482810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).